1-[4-(phenylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]butan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenoxy]butan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[3-(trifluoromethyl)phenoxy]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenoxy]butan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[3-(trifluoromethyl)phenoxy]butan-1-one Formula: C22H25F3N2O2 MolecularWeight: 406.44131

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O2/c1-2-20(29-19-10-6-9-18(15-19)22(23,24)25)21(28)27-13-11-26(12-14-27)16-17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3